1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(3-methyl-1H-indol-4-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(morpholine-4-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(2H-tetrazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen

C116H123F6N15O18 — CID 160531284

About 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(3-methyl-1H-indol-4-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(morpholine-4-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(2H-tetrazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(3-methyl-1H-indol-4-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(morpholine-4-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(2H-tetrazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 160531284) has the molecular formula C116H123F6N15O18 and a molecular weight of 2129.33 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(3-methyl-1H-indol-4-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(morpholine-4-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(2H-tetrazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(3-methyl-1H-indol-4-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(morpholine-4-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(2H-tetrazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 160531284
• Molecular Formula: C116H123F6N15O18
• Molecular Weight: 2129.33 g/mol
• Exact Mass: 2127.91
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(3-methyl-1H-indol-4-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(morpholine-4-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(2H-tetrazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CC(O)Cc1nn[nH]n1.CCCc1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(F)c2[nH]1.Cc1c[nH]c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c12.O=C(c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1)N1CCOCC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C27H28F2N6O4.C24H23N3O5.C23H21F3N2O3.C22H21FN2O3.C20H18N2O3.6H2/c1-25(2,3)22-11-15-10-17(5-6-19(15)35(22)14-18(36)13-23-31-33-34-32-23)30-24(37)26(8-9-26)16-4-7-20-21(12-16)39-27(28,29)38-20;28-22(27-7-9-30-10-8-27)19-12-15-11-17(2-3-18(15)26-19)25-23(29)24(5-6-24)16-1-4-20-21(13-16)32-14-31-20;1-21(2,3)19-9-12-8-16(14(24)11-15(12)27-19)28-20(29)22(6-7-22)13-4-5-17-18(10-13)31-23(25,26)30-17;1-2-3-15-8-13-9-16(11-17(23)20(13)24-15)25-21(26)22(6-7-22)14-4-5-18-19(10-14)28-12-27-18;1-12-10-21-14-3-2-4-15(18(12)14)22-19(23)20(7-8-20)13-5-6-16-17(9-13)25-11-24-16;;;;;;/h4-7,10-12,18,36H,8-9,13-14H2,1-3H3,(H,30,37)(H,31,32,33,34);1-4,11-13,26H,5-10,14H2,(H,25,29);4-5,8-11,27H,6-7H2,1-3H3,(H,28,29);4-5,8-11,24H,2-3,6-7,12H2,1H3,(H,25,26);2-6,9-10,21H,7-8,11H2,1H3,(H,22,23);6*1H
• InChIKey: QVONMVUMERASSJ-UHFFFAOYSA-N
• XLogP: 22.69
• TPSA: 410.12 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2129.33
LogP ≤ 5	22.69
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(3-methyl-1H-indol-4-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(morpholine-4-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(2H-tetrazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(3-methyl-1H-indol-4-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(morpholine-4-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(2H-tetrazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen (CID 160531284) is 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(3-methyl-1H-indol-4-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(morpholine-4-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(2H-tetrazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(3-methyl-1H-indol-4-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(morpholine-4-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(2H-tetrazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(3-methyl-1H-indol-4-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(morpholine-4-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(2H-tetrazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen is CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CC(O)Cc1nn[nH]n1.CCCc1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(F)c2[nH]1.Cc1c[nH]c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c12.O=C(c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1)N1CCOCC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(3-methyl-1H-indol-4-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(morpholine-4-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(2H-tetrazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is QVONMVUMERASSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N6O4.C24H23N3O5.C23H21F3N2O3.C22H21FN2O3.C20H18N2O3.6H2/c1-25(2,3)22-11-15-10-17(5-6-19(15)35(22)14-18(36)13-23-31-33-34-32-23)30-24(37)26(8-9-26)16-4-7-20-21(12-16)39-27(28,29)38-20;28-22(27-7-9-30-10-8-27)19-12-15-11-17(2-3-18(15)26-19)25-23(29)24(5-6-24)16-1-4-20-21(13-16)32-14-31-20;1-21(2,3)19-9-12-8-16(14(24)11-15(12)27-19)28-20(29)22(6-7-22)13-4-5-17-18(10-13)31-23(25,26)30-17;1-2-3-15-8-13-9-16(11-17(23)20(13)24-15)25-21(26)22(6-7-22)14-4-5-18-19(10-14)28-12-27-18;1-12-10-21-14-3-2-4-15(18(12)14)22-19(23)20(7-8-20)13-5-6-16-17(9-13)25-11-24-16;;;;;;/h4-7,10-12,18,36H,8-9,13-14H2,1-3H3,(H,30,37)(H,31,32,33,34);1-4,11-13,26H,5-10,14H2,(H,25,29);4-5,8-11,27H,6-7H2,1-3H3,(H,28,29);4-5,8-11,24H,2-3,6-7,12H2,1H3,(H,25,26);2-6,9-10,21H,7-8,11H2,1H3,(H,22,23);6*1H.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(3-methyl-1H-indol-4-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(morpholine-4-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(2H-tetrazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?

1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(3-methyl-1H-indol-4-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(morpholine-4-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(2H-tetrazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2129.33 g/mol, XLogP of 22.69, 22 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(3-methyl-1H-indol-4-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(morpholine-4-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(2H-tetrazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 160531284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).